HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-(4-Chlorocinnamoyl)-propionic acid
Identifiers & Physical Properties
| Molecular formula | C12H11ClO3 |
|---|---|
| Average molar mass | 238.66 g/mol |
| SMILES | O=C(O)CCC(=O)C=Cc1ccc(Cl)cc1 |
| InChIKey | UFTRFXAENCQOPW-UHFFFAOYSA-N |
| PubChem CID | 54351013 |
Chemical & Physical Properties
| XLogP | 2.1 |
|---|---|
| Topological polar surface area | 54.4 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 5 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 278 |